3-methoxy-N-phenylbenzamide

• ChemBase ID: 173114
• Molecular Formular: C14H13NO2
• Molecular Mass: 227.25852
• Monoisotopic Mass: 227.09462866
• SMILES: c1c(cccc1C(=O)Nc1ccccc1)OC
• Canonical SMILES: COc1cccc(c1)C(=O)Nc1ccccc1
• InChI: InChI=1S/C14H13NO2/c1-17-13-9-5-6-11(10-13)14(16)15-12-7-3-2-4-8-12/h2-10H,1H3,(H,15,16)
• InChIKey: OAAVWHUTJIJKOU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxy-N-phenylbenzamide
• IUPAC Traditional name: 3-methoxy-N-phenylbenzamide
• Synonyms: N-Phenyl-3-methoxybenzamide; N-Phenyl-m-anisamide; 3-Methoxybenzanilide; m-Anisanilide; 3-Methoxy-N-phenylbenzamide

Database IDs

• CAS Number: 6833-23-4
• PubChem SID: 164229024
• PubChem CID: 835330

CALCULATED PROPERTIES

• Acid pKa: 12.007333
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.9074593
• LogD (pH = 7.4): 2.9074492
• Log P: 2.9074593
• Molar Refractivity: 68.0547 cm^3
• Polarizability: 25.455378 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Methanol
• Apperance: Off-White Solid
• Melting Point: 114-116°C

Safety Information

• Storage Condition: Refrigerator